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SID56324274 ID: ALA1514897
Chembl Id: CHEMBL1514897
PubChem CID: 16259000
Max Phase: Preclinical
Molecular Formula: C24H26N2O4S2
Molecular Weight: 470.62
Molecule Type: Small molecule
Associated Items:
Names and Identifiers Canonical SMILES: Cc1cccc(N(Cc2ccccc2)C(=O)Cc2ccc(S(=O)(=O)N3CCOCC3)s2)c1
Standard InChI: InChI=1S/C24H26N2O4S2/c1-19-6-5-9-21(16-19)26(18-20-7-3-2-4-8-20)23(27)17-22-10-11-24(31-22)32(28,29)25-12-14-30-15-13-25/h2-11,16H,12-15,17-18H2,1H3
Standard InChI Key: OMKLKZREFGHWRT-UHFFFAOYSA-N
Associated Targets(Human) Associated Targets(non-human) Molecule Features Natural Product: NoOral: NoChemical Probe: NoParenteral: NoMolecule Type: Small moleculeTopical: NoFirst In Class: NoBlack Box: NoChirality: NoAvailability: NoProdrug: No
Drug Indications MESH ID MESH Heading EFO IDs EFO Terms Max Phase for Indication References
Mechanisms of Action Mechanism of Action Action Type target ID Target Name Target Type Target Organism Binding Site Name References
Calculated Properties Molecular Weight: 470.62Molecular Weight (Monoisotopic): 470.1334AlogP: 3.85#Rotatable Bonds: 7Polar Surface Area: 66.92Molecular Species: NEUTRALHBA: 5HBD: ┄#RO5 Violations: ┄HBA (Lipinski): 6HBD (Lipinski): ┄#RO5 Violations (Lipinski): ┄CX Acidic pKa: ┄CX Basic pKa: ┄CX LogP: 4.06CX LogD: 4.06Aromatic Rings: 3Heavy Atoms: 32QED Weighted: 0.53Np Likeness Score: -2.31
References 1. PubChem BioAssay data set,
